3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide

C18H25NO4 — CID 51090259

IUPAC3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CC2CCCO2)CC2CCCO2)c1
InChIInChI=1S/C18H25NO4/c1-21-15-6-2-5-14(11-15)18(20)19(12-16-7-3-9-22-16)13-17-8-4-10-23-17/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3
InChIKeyOLHYTJTZSJMGLL-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.50
Rot. Bonds6

About 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide

3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide (PubChem CID 51090259) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
PubChem CID51090259
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CC2CCCO2)CC2CCCO2)c1
InChIInChI=1S/C18H25NO4/c1-21-15-6-2-5-14(11-15)18(20)19(12-16-7-3-9-22-16)13-17-8-4-10-23-17/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3
InChIKeyOLHYTJTZSJMGLL-UHFFFAOYSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
[4-[[(3-methoxybenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7482553
[4-[[(3-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3364306
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 666781
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
methyl 4-[2-[(3-methoxybenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93143668
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide (CID 51090259) is 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)N(CC2CCCO2)CC2CCCO2)c1.
What is the InChIKey of 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide?
The InChIKey is OLHYTJTZSJMGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-21-15-6-2-5-14(11-15)18(20)19(12-16-7-3-9-22-16)13-17-8-4-10-23-17/h2,5-6,11,16-17H,3-4,7-10,12-13H2,1H3.
What are the key properties of 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide?
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide has a molecular weight of 319.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 51090259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).